4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde

C10H11ClF3N3O2 — CID 107480723

IUPAC4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2/c1-6-15-8(11)7(4-19)9(16-6)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyANTXICBSYLALQD-UHFFFAOYSA-N
MW297.66 g/mol
LogP1.61
Rot. Bonds5

About 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde

4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde (PubChem CID 107480723) has the molecular formula C10H11ClF3N3O2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
PubChem CID107480723
Molecular FormulaC10H11ClF3N3O2
Molecular Weight297.66 g/mol
Exact Mass297.05
IUPAC Name4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde
SMILESCc1nc(Cl)c(C=O)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2/c1-6-15-8(11)7(4-19)9(16-6)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3
InChIKeyANTXICBSYLALQD-UHFFFAOYSA-N
XLogP1.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde (CID 107480723) is 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde is Cc1nc(Cl)c(C=O)c(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
The InChIKey is ANTXICBSYLALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2/c1-6-15-8(11)7(4-19)9(16-6)17(2-3-18)5-10(12,13)14/h4,18H,2-3,5H2,1H3.
What are the key properties of 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde?
4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde has a molecular weight of 297.66 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 107480723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).